4-[(1-octadecyl-2H-pyridin-6-yl)methoxy]-4-oxidanylidene-butanoic acid bromide

Systemtic Name: 4-[(1-octadecyl-2H-pyridin-6-yl)methoxy]-4-oxidanylidene-butanoic acid bromide Openeye Name: 4-[(1-octadecyl-2H-pyridin-6-yl)methoxy]-4-oxo-butanoic acid bromide CAS Name: 4-[(1-octadecyl-2H-pyridin-6-yl)methoxy]-4-oxobutanoic acid bromide IUPAC Name: 4-[(1-octadecyl-2H-pyridin-6-yl)methoxy]-4-oxobutanoic acid bromide Traditional Name: 4-keto-4-[(1-stearyl-2H-pyridin-6-yl)methoxy]butyric acid bromide Formula: C28H49BrNO4- MolecularWeight: 543.59696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1CC=CC=C1COC(=O)CCC(=O)O.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1CC=CC=C1COC(=O)CCC(=O)O.[Br-]

InChI

InChI=1S/C28H49NO4.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23-29-24-19-17-20-26(29)25-33-28(32)22-21-27(30)31;/h17,19-20H,2-16,18,21-25H2,1H3,(H,30,31);1H/p-1